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2-Chloroadenosine hemidydrate

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Basic information
Standard English name
Cas No. 81012-94-4
Alias (2R,3R,4S,5R)-2-(6-amino-2-chloro-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol hemihydrate
Canonical Smiles O.NC1N=C(Cl)N=C2C=1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.NC1N=C(Cl)N=C2C=1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
MDL No. MFCD00149351
Exact Mass 620.12613
Smiles OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1N2C3=NC(Cl)=NC(N)=C3N=C2.OC[C@@H](O4)[C@@H](O)[C@@H](O)[C@@H]4N5C6=NC(Cl)=NC(N)=C6N=C5.O
Security information
Character
Storage Condition
Melting Point 160 °C (dec.)(lit.)
Boiling Point
Flash Point
Chemical Stability
Density
Vapor Pressure
GHS
Signal Word
Dangerous Goods GHS07
Hazard Category H302;H315;H319;H332;H335
Hazard Codes
Prevention Guidelines
Hazard Statements
Safety Instructions P261;P280;P305+P351+P338
Water Solubility
Storage Temp.
Hazardous Decomposition Products
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Biological Activity
Physicochemical Propertie
Transport Condition
HS Code
UN No.
Feature Warning
Useage
Inchi InChI=1S/2C10H12ClN5O4.H2O/c2*11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9;/h2*2-3,5-6,9,17-19H,1H2,(H2,12,14,15);1H2/t2*3-,5-,6-,9-;/m11./s1
InchiKey WRURCFOLSGPTMO-IZGCVNAISA-N
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